[3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone

C32H22O4 — CID 11070706

IUPAC[3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cccc(C(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C32H22O4/c33-31(23-14-18-29(19-15-23)35-27-10-3-1-4-11-27)25-8-7-9-26(22-25)32(34)24-16-20-30(21-17-24)36-28-12-5-2-6-13-28/h1-22H
InChIKeyGRKPTIWJWCQZBA-UHFFFAOYSA-N
MW470.52 g/mol
LogP7.73
Rot. Bonds8

About [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone

[3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone (PubChem CID 11070706) has the molecular formula C32H22O4 and a molecular weight of 470.52 g/mol. Its IUPAC name is [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
PubChem CID11070706
Molecular FormulaC32H22O4
Molecular Weight470.52 g/mol
Exact Mass470.15
IUPAC Name[3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)c1cccc(C(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C32H22O4/c33-31(23-14-18-29(19-15-23)35-27-10-3-1-4-11-27)25-8-7-9-26(22-25)32(34)24-16-20-30(21-17-24)36-28-12-5-2-6-13-28/h1-22H
InChIKeyGRKPTIWJWCQZBA-UHFFFAOYSA-N
XLogP7.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone (CID 11070706) is [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)c1cccc(C(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
The InChIKey is GRKPTIWJWCQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O4/c33-31(23-14-18-29(19-15-23)35-27-10-3-1-4-11-27)25-8-7-9-26(22-25)32(34)24-16-20-30(21-17-24)36-28-12-5-2-6-13-28/h1-22H.
What are the key properties of [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone?
[3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone has a molecular weight of 470.52 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 11070706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).